N-[(Z)-benzylideneamino]-3-chloroaniline

C13H11ClN2 — CID 6444517

IUPACN-[(Z)-benzylideneamino]-3-chloroaniline
SMILESClc1cccc(N/N=C\c2ccccc2)c1
InChIInChI=1S/C13H11ClN2/c14-12-7-4-8-13(9-12)16-15-10-11-5-2-1-3-6-11/h1-10,16H/b15-10-
InChIKeyGZZYOYAUOJLPOX-GDNBJRDFSA-N
MW230.70 g/mol
LogP3.79
Rot. Bonds3

About N-[(Z)-benzylideneamino]-3-chloroaniline

N-[(Z)-benzylideneamino]-3-chloroaniline (PubChem CID 6444517) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-3-chloroaniline.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-3-chloroaniline
PubChem CID6444517
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC NameN-[(Z)-benzylideneamino]-3-chloroaniline
SMILESClc1cccc(N/N=C\c2ccccc2)c1
InChIInChI=1S/C13H11ClN2/c14-12-7-4-8-13(9-12)16-15-10-11-5-2-1-3-6-11/h1-10,16H/b15-10-
InChIKeyGZZYOYAUOJLPOX-GDNBJRDFSA-N
XLogP3.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-benzylideneamino]-3-chloroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135730470
3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 78576663
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline
CID 8972812
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
2-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol
CID 7955607
3-chloro-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
CID 8972803

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-3-chloroaniline?
The IUPAC name of N-[(Z)-benzylideneamino]-3-chloroaniline (CID 6444517) is N-[(Z)-benzylideneamino]-3-chloroaniline.
What is the SMILES notation for N-[(Z)-benzylideneamino]-3-chloroaniline?
The canonical SMILES for N-[(Z)-benzylideneamino]-3-chloroaniline is Clc1cccc(N/N=C\c2ccccc2)c1.
What is the InChIKey of N-[(Z)-benzylideneamino]-3-chloroaniline?
The InChIKey is GZZYOYAUOJLPOX-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-12-7-4-8-13(9-12)16-15-10-11-5-2-1-3-6-11/h1-10,16H/b15-10-.
What are the key properties of N-[(Z)-benzylideneamino]-3-chloroaniline?
N-[(Z)-benzylideneamino]-3-chloroaniline has a molecular weight of 230.70 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-3-chloroaniline is sourced from PubChem (CID 6444517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).